N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]hexanamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C23H29N5OS/c1-3-5-7-9-22(29)25-23(30)24-18-12-15-20-21(16-18)27-28(26-20)19-13-10-17(11-14-19)8-6-4-2/h10-16H,3-9H2,1-2H3,(H2,24,25,29,30)